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]+ 153.11348 131.9
[M+Na]+ 175.09542 139.5
[M-H]- 151.09892 132.6
[M+NH4]+ 170.14002 149.8
[M+K]+ 191.06936 137.3
[M+H-H2O]+ 135.10346 124.3
[M+HCOO]- 197.10440 156.0
[M+CH3COO]- 211.12005 180.9
[M+Na-2H]- 173.08087 140.3
[M]+ 152.10565 130.1
[M]- 152.10675 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.