CID 19913541

N-(3-aminopropyl)-4-aminobutanal

Structural Information

Molecular Formula
C7H16N2O
SMILES
C(CC=O)CNCCCN
InChI
InChI=1S/C7H16N2O/c8-4-3-6-9-5-1-2-7-10/h7,9H,1-6,8H2
InChIKey
JNZUMEMWAPJNLC-UHFFFAOYSA-N
Compound name
4-(3-aminopropylamino)butanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
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

literature stripe

Patent stripe

patents stripe