CID 32412

(2-aminoethyl)carbamic acid

Structural Information

Molecular Formula
C3H8N2O2
SMILES
C(CNC(=O)O)N
InChI
InChI=1S/C3H8N2O2/c4-1-2-5-3(6)7/h5H,1-2,4H2,(H,6,7)
InChIKey
RLRHPCKWSXWKBG-UHFFFAOYSA-N
Compound name
2-aminoethylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

3192
Patents

104.05858 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.06586 119.1
[M+Na]+ 127.04780 125.4
[M-H]- 103.05130 117.8
[M+NH4]+ 122.09240 140.5
[M+K]+ 143.02174 125.4
[M+H-H2O]+ 87.055840 114.2
[M+HCOO]- 149.05678 143.4
[M+CH3COO]- 163.07243 167.8
[M+Na-2H]- 125.03325 125.1
[M]+ 104.05803 116.0
[M]- 104.05913 116.0
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