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

66
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 118.3
[M+Na]+ 122.06887 127.6
[M+NH4]+ 117.11347 126.2
[M+K]+ 138.04281 124.7
[M-H]- 98.072374 118.5
[M+Na-2H]- 120.05432 123.2
[M]+ 99.079101 119.2
[M]- 99.080199 119.2
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