CID 79006287

1379341-87-3

Structural Information

Molecular Formula
C9H13N5
SMILES
CN1C=CN=C1C(C2=NC=CN2C)N
InChI
InChI=1S/C9H13N5/c1-13-5-3-11-8(13)7(10)9-12-4-6-14(9)2/h3-7H,10H2,1-2H3
InChIKey
CSHAWDNWYAETDR-UHFFFAOYSA-N
Compound name
bis(1-methylimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.1171 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12438 140.3
[M+Na]+ 214.10632 150.6
[M-H]- 190.10982 142.9
[M+NH4]+ 209.15092 157.8
[M+K]+ 230.08026 148.0
[M+H-H2O]+ 174.11436 131.2
[M+HCOO]- 236.11530 163.5
[M+CH3COO]- 250.13095 153.5
[M+Na-2H]- 212.09177 143.5
[M]+ 191.11655 141.3
[M]- 191.11765 141.3
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.