CID 24695611

3-amino-n-(prop-2-yn-1-yl)propanamide hydrochloride

Structural Information

Molecular Formula
C6H10N2O
SMILES
C#CCNC(=O)CCN
InChI
InChI=1S/C6H10N2O/c1-2-5-8-6(9)3-4-7/h1H,3-5,7H2,(H,8,9)
InChIKey
OZBJBNQHMAXGTG-UHFFFAOYSA-N
Compound name
3-amino-N-prop-2-ynylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

126.079315 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 128.3
[M+Na]+ 149.06853 136.1
[M-H]- 125.07204 127.4
[M+NH4]+ 144.11314 147.2
[M+K]+ 165.04247 135.0
[M+H-H2O]+ 109.07658 117.1
[M+HCOO]- 171.07752 147.1
[M+CH3COO]- 185.09317 184.4
[M+Na-2H]- 147.05398 132.5
[M]+ 126.07877 121.1
[M]- 126.07986 121.1
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

patents stripe