CID 504238

N-isopropylcarbamate

Structural Information

Molecular Formula
C4H9NO2
SMILES
CC(C)NC(=O)O
InChI
InChI=1S/C4H9NO2/c1-3(2)5-4(6)7/h3,5H,1-2H3,(H,6,7)
InChIKey
KNTZCGBYFGEMFR-UHFFFAOYSA-N
Compound name
propan-2-ylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1903
Patents

103.06333 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 120.1
[M+Na]+ 126.052548 126.8
[M-H]- 102.056054 119.5
[M+NH4]+ 121.097153 142.3
[M+K]+ 142.026488 127.4
[M+H-H2O]+ 86.060590 115.8
[M+HCOO]- 148.061531 142.8
[M+CH3COO]- 162.077181 167.3
[M+Na-2H]- 124.037996 125.3
[M]+ 103.06278142 118.7
[M]- 103.06387858 118.7
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