CID 198170

36473-03-7

Structural Information

Molecular Formula
C4H9NO3
SMILES
CCC(O)OC(=O)N
InChI
InChI=1S/C4H9NO3/c1-2-3(6)8-4(5)7/h3,6H,2H2,1H3,(H2,5,7)
InChIKey
YUEATNYGWBDCEL-UHFFFAOYSA-N
Compound name
1-hydroxypropyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2028
Patents

119.05824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 123.3
[M+Na]+ 142.047458 129.9
[M-H]- 118.050964 122.0
[M+NH4]+ 137.092063 144.4
[M+K]+ 158.021398 130.5
[M+H-H2O]+ 102.055500 118.7
[M+HCOO]- 164.056441 145.5
[M+CH3COO]- 178.072091 168.7
[M+Na-2H]- 140.032906 127.4
[M]+ 119.05769142 122.2
[M]- 119.05878858 122.2
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