CID 10263004

22373-14-4

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC[C@@H](CO)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H17NO3/c1-2-11(8-14)13-12(15)16-9-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m0/s1
InChIKey
SBWYBQRWDXWJDV-NSHDSACASA-N
Compound name
benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

223.12085 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 151.8
[M+Na]+ 246.11007 156.3
[M-H]- 222.11357 153.5
[M+NH4]+ 241.15467 168.8
[M+K]+ 262.08401 154.7
[M+H-H2O]+ 206.11811 145.1
[M+HCOO]- 268.11905 173.8
[M+CH3COO]- 282.13470 188.2
[M+Na-2H]- 244.09552 155.6
[M]+ 223.12030 152.3
[M]- 223.12140 152.3
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

patents stripe