CID 12621846

73706-74-8

Structural Information

Molecular Formula
C5H11N3
SMILES
C1CNC(=NC1)CN
InChI
InChI=1S/C5H11N3/c6-4-5-7-2-1-3-8-5/h1-4,6H2,(H,7,8)
InChIKey
NKFVINLJQAYNAJ-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydropyrimidin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.0953 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.102576 123.6
[M+Na]+ 136.084518 129.4
[M-H]- 112.088024 122.1
[M+NH4]+ 131.129123 142.1
[M+K]+ 152.058458 127.4
[M+H-H2O]+ 96.092560 116.7
[M+HCOO]- 158.093501 142.8
[M+CH3COO]- 172.109151 166.8
[M+Na-2H]- 134.069966 130.8
[M]+ 113.09475142 116.6
[M]- 113.09584858 116.6
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.