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

104
Patents

99.07965 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.08693 118.5
[M+Na]+ 122.06887 125.6
[M-H]- 98.072374 117.4
[M+NH4]+ 117.11347 139.5
[M+K]+ 138.04281 124.1
[M+H-H2O]+ 82.076910 111.7
[M+HCOO]- 144.07785 140.2
[M+CH3COO]- 158.09350 163.5
[M+Na-2H]- 120.05432 124.8
[M]+ 99.079101 113.2
[M]- 99.080199 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