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 181.0
[M+Na]+ 356.18322 192.4
[M+NH4]+ 351.22782 188.4
[M+K]+ 372.15716 188.6
[M-H]- 332.18672 193.2
[M+Na-2H]- 354.16867 188.9
[M]+ 333.19345 187.1
[M]- 333.19455 187.1
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.