CID 145925

Chebi:183796

Structural Information

Molecular Formula
C7H16N2O
SMILES
C(CCNCCC=O)CN
InChI
InChI=1S/C7H16N2O/c8-4-1-2-5-9-6-3-7-10/h7,9H,1-6,8H2
InChIKey
MMMHAACFRAVQHI-UHFFFAOYSA-N
Compound name
3-(4-aminobutylamino)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

144.12627 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.133546 132.7
[M+Na]+ 167.115488 138.0
[M-H]- 143.118994 132.1
[M+NH4]+ 162.160093 153.3
[M+K]+ 183.089428 136.9
[M+H-H2O]+ 127.123530 127.0
[M+HCOO]- 189.124471 157.9
[M+CH3COO]- 203.140121 180.3
[M+Na-2H]- 165.100936 138.6
[M]+ 144.12572142 132.4
[M]- 144.12681858 132.4
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

No patent data available for this compound.