CID 85235

Bis(hydroxymethyl)carbamic acid, 2-(2-methylpropoxy)ethyl ester

Structural Information

Molecular Formula
C9H19NO5
SMILES
CC(C)COCCOC(=O)N(CO)CO
InChI
InChI=1S/C9H19NO5/c1-8(2)5-14-3-4-15-9(13)10(6-11)7-12/h8,11-12H,3-7H2,1-2H3
InChIKey
GZDSLVJYTXIYNB-UHFFFAOYSA-N
Compound name
2-(2-methylpropoxy)ethyl N,N-bis(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12633 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.133606 151.2
[M+Na]+ 244.115548 155.4
[M-H]- 220.119054 149.6
[M+NH4]+ 239.160153 168.4
[M+K]+ 260.089488 156.8
[M+H-H2O]+ 204.123590 145.3
[M+HCOO]- 266.124531 172.0
[M+CH3COO]- 280.140181 189.0
[M+Na-2H]- 242.100996 152.7
[M]+ 221.12578142 155.3
[M]- 221.12687858 155.3
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.