CID 62785489

N1-(2-methylpyrimidin-4-yl)ethane-1,2-diamine

Structural Information

Molecular Formula
C7H12N4
SMILES
CC1=NC=CC(=N1)NCCN
InChI
InChI=1S/C7H12N4/c1-6-9-4-2-7(11-6)10-5-3-8/h2,4H,3,5,8H2,1H3,(H,9,10,11)
InChIKey
KPRSLNITKNTBMZ-UHFFFAOYSA-N
Compound name
N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 131.9
[M+Na]+ 175.095418 139.5
[M-H]- 151.098924 132.6
[M+NH4]+ 170.140023 149.8
[M+K]+ 191.069358 137.3
[M+H-H2O]+ 135.103460 124.3
[M+HCOO]- 197.104401 156.0
[M+CH3COO]- 211.120051 180.9
[M+Na-2H]- 173.080866 140.3
[M]+ 152.10565142 130.1
[M]- 152.10674858 130.1
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

No patent data available for this compound.