CID 19967186

365441-66-3

Structural Information

Molecular Formula
C9H12ClN3
SMILES
CC(=N)N(C)CC1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H12ClN3/c1-7(11)13(2)6-8-3-4-9(10)12-5-8/h3-5,11H,6H2,1-2H3
InChIKey
JHZWQGRBAHJYIZ-UHFFFAOYSA-N
Compound name
N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

13
Patents

197.07198 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.079256 142.5
[M+Na]+ 220.061198 150.1
[M-H]- 196.064704 146.2
[M+NH4]+ 215.105803 161.5
[M+K]+ 236.035138 147.3
[M+H-H2O]+ 180.069240 136.0
[M+HCOO]- 242.070181 162.9
[M+CH3COO]- 256.085831 191.4
[M+Na-2H]- 218.046646 148.1
[M]+ 197.07143142 143.6
[M]- 197.07252858 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe