CID 84278

Carbamic acid, (hydroxymethyl)-, 1-methylethyl ester

Structural Information

Molecular Formula
C5H11NO3
SMILES
CC(C)OC(=O)NCO
InChI
InChI=1S/C5H11NO3/c1-4(2)9-5(8)6-3-7/h4,7H,3H2,1-2H3,(H,6,8)
InChIKey
DDAPWCYXRCDPQS-UHFFFAOYSA-N
Compound name
propan-2-yl N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

133.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 127.7
[M+Na]+ 156.06312 133.9
[M-H]- 132.06662 126.8
[M+NH4]+ 151.10772 148.6
[M+K]+ 172.03706 134.7
[M+H-H2O]+ 116.07116 122.9
[M+HCOO]- 178.07210 150.2
[M+CH3COO]- 192.08775 171.7
[M+Na-2H]- 154.04857 132.3
[M]+ 133.07335 128.0
[M]- 133.07445 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe