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]+ 114.10258 123.6
[M+Na]+ 136.08452 129.4
[M-H]- 112.08802 122.1
[M+NH4]+ 131.12912 142.1
[M+K]+ 152.05846 127.4
[M+H-H2O]+ 96.092560 116.7
[M+HCOO]- 158.09350 142.8
[M+CH3COO]- 172.10915 166.8
[M+Na-2H]- 134.06997 130.8
[M]+ 113.09475 116.6
[M]- 113.09585 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.