CID 28318537

N4-propylpyridine-3,4-diamine

Structural Information

Molecular Formula
C8H13N3
SMILES
CCCNC1=C(C=NC=C1)N
InChI
InChI=1S/C8H13N3/c1-2-4-11-8-3-5-10-6-7(8)9/h3,5-6H,2,4,9H2,1H3,(H,10,11)
InChIKey
JTVNCMHVHRQVPO-UHFFFAOYSA-N
Compound name
4-N-propylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

151.11095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 131.8
[M+Na]+ 174.10017 138.9
[M-H]- 150.10367 133.7
[M+NH4]+ 169.14477 151.0
[M+K]+ 190.07411 136.6
[M+H-H2O]+ 134.10821 124.9
[M+HCOO]- 196.10915 156.8
[M+CH3COO]- 210.12480 181.1
[M+Na-2H]- 172.08562 139.5
[M]+ 151.11040 129.7
[M]- 151.11150 129.7
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