CID 49739085

Benzyl n-{[1-(hydroxymethyl)cyclopropyl]methyl}carbamate

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1CC1(CNC(=O)OCC2=CC=CC=C2)CO
InChI
InChI=1S/C13H17NO3/c15-10-13(6-7-13)9-14-12(16)17-8-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H,14,16)
InChIKey
VNOBACPLPRWLDD-UHFFFAOYSA-N
Compound name
benzyl N-[[1-(hydroxymethyl)cyclopropyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

235.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 151.3
[M+Na]+ 258.11007 158.5
[M-H]- 234.11357 157.3
[M+NH4]+ 253.15467 165.1
[M+K]+ 274.08401 155.9
[M+H-H2O]+ 218.11811 145.3
[M+HCOO]- 280.11905 174.2
[M+CH3COO]- 294.13470 191.4
[M+Na-2H]- 256.09552 157.8
[M]+ 235.12030 154.6
[M]- 235.12140 154.6
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

patents stripe