CID 22476051

5-(aminomethyl)pyrimidine-2-carbonitrile hydrochloride

Structural Information

Molecular Formula
C6H6N4
SMILES
C1=C(C=NC(=N1)C#N)CN
InChI
InChI=1S/C6H6N4/c7-1-5-3-9-6(2-8)10-4-5/h3-4H,1,7H2
InChIKey
KSWGPGWIHUIGJM-UHFFFAOYSA-N
Compound name
5-(aminomethyl)pyrimidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

134.05925 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06653 125.0
[M+Na]+ 157.04847 134.9
[M-H]- 133.05197 125.0
[M+NH4]+ 152.09307 141.5
[M+K]+ 173.02241 132.9
[M+H-H2O]+ 117.05651 111.0
[M+HCOO]- 179.05745 144.3
[M+CH3COO]- 193.07310 187.1
[M+Na-2H]- 155.03392 132.8
[M]+ 134.05870 118.2
[M]- 134.05980 118.2
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