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]+ 334.20128 175.9
[M+Na]+ 356.18322 180.7
[M-H]- 332.18672 185.8
[M+NH4]+ 351.22782 183.3
[M+K]+ 372.15716 179.4
[M+H-H2O]+ 316.19126 168.0
[M+HCOO]- 378.19220 193.4
[M+CH3COO]- 392.20785 212.8
[M+Na-2H]- 354.16867 179.0
[M]+ 333.19345 178.3
[M]- 333.19455 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.