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

11
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.