CID 11299037

N-(4-chlorophenyl)-n-(2-methyl-2h-tetrazol-5-ylmethyl)amine

Structural Information

Molecular Formula
C9H10ClN5
SMILES
CN1N=C(N=N1)CNC2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H10ClN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKey
MTKWOUZCLHJPDW-UHFFFAOYSA-N
Compound name
4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

223.06247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06975 146.7
[M+Na]+ 246.05169 157.0
[M-H]- 222.05519 148.3
[M+NH4]+ 241.09629 161.9
[M+K]+ 262.02563 152.1
[M+H-H2O]+ 206.05973 136.9
[M+HCOO]- 268.06067 164.3
[M+CH3COO]- 282.07632 158.9
[M+Na-2H]- 244.03714 153.1
[M]+ 223.06192 148.6
[M]- 223.06302 148.6
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