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]+ 222.13361 151.2
[M+Na]+ 244.11555 155.4
[M-H]- 220.11905 149.6
[M+NH4]+ 239.16015 168.4
[M+K]+ 260.08949 156.8
[M+H-H2O]+ 204.12359 145.3
[M+HCOO]- 266.12453 172.0
[M+CH3COO]- 280.14018 189.0
[M+Na-2H]- 242.10100 152.7
[M]+ 221.12578 155.3
[M]- 221.12688 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.