CID 118956

Carbamic acid, [2-[(2-aminoethyl)amino]ethyl]-

Structural Information

Molecular Formula
C5H13N3O2
SMILES
C(CNCCNC(=O)O)N
InChI
InChI=1S/C5H13N3O2/c6-1-2-7-3-4-8-5(9)10/h7-8H,1-4,6H2,(H,9,10)
InChIKey
ZUBOWBHHVKFYFL-UHFFFAOYSA-N
Compound name
2-(2-aminoethylamino)ethylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

147.10077 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.10805 130.8
[M+Na]+ 170.08999 135.4
[M-H]- 146.09349 129.1
[M+NH4]+ 165.13459 150.0
[M+K]+ 186.06393 134.8
[M+H-H2O]+ 130.09803 124.8
[M+HCOO]- 192.09897 155.4
[M+CH3COO]- 206.11462 179.2
[M+Na-2H]- 168.07544 136.0
[M]+ 147.10022 127.6
[M]- 147.10132 127.6
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