CID 122170279

1946017-76-0

Structural Information

Molecular Formula
C19H27NO4
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C2=CC=C(C=C2)OC3CCCCO3
InChI
InChI=1S/C19H27NO4/c1-19(2,3)24-18(21)20-16-12-15(16)13-7-9-14(10-8-13)23-17-6-4-5-11-22-17/h7-10,15-17H,4-6,11-12H2,1-3H3,(H,20,21)/t15-,16+,17?/m1/s1
InChIKey
GMBMJUCZTQHNDM-GARXDOFDSA-N
Compound name
tert-butyl N-[(1S,2R)-2-[4-(oxan-2-yloxy)phenyl]cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.194 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.201276 175.9
[M+Na]+ 356.183218 180.7
[M-H]- 332.186724 185.8
[M+NH4]+ 351.227823 183.3
[M+K]+ 372.157158 179.4
[M+H-H2O]+ 316.191260 168.0
[M+HCOO]- 378.192201 193.4
[M+CH3COO]- 392.207851 212.8
[M+Na-2H]- 354.168666 179.0
[M]+ 333.19345142 178.3
[M]- 333.19454858 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.