CID 426583

(4,5-dihydro-1h-imidazol-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C4H9N3
SMILES
C1CN=C(N1)CN
InChI
InChI=1S/C4H9N3/c5-3-4-6-1-2-7-4/h1-3,5H2,(H,6,7)
InChIKey
LDRSQURIJAHKPI-UHFFFAOYSA-N
Compound name
4,5-dihydro-1H-imidazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

99.07965 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.086926 118.5
[M+Na]+ 122.068868 125.6
[M-H]- 98.072374 117.4
[M+NH4]+ 117.113473 139.5
[M+K]+ 138.042808 124.1
[M+H-H2O]+ 82.076910 111.7
[M+HCOO]- 144.077851 140.2
[M+CH3COO]- 158.093501 163.5
[M+Na-2H]- 120.054316 124.8
[M]+ 99.07910142 113.2
[M]- 99.08019858 113.2
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