CID 3041347

Brn 0986934

Structural Information

Molecular Formula
C10H13N5
SMILES
CC1=CC=C(C=C1)NCCC2=NNN=N2
InChI
InChI=1S/C10H13N5/c1-8-2-4-9(5-3-8)11-7-6-10-12-14-15-13-10/h2-5,11H,6-7H2,1H3,(H,12,13,14,15)
InChIKey
AOZFQPYRXRHWRW-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1171 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12438 144.5
[M+Na]+ 226.10632 152.5
[M-H]- 202.10982 144.7
[M+NH4]+ 221.15092 158.8
[M+K]+ 242.08026 148.1
[M+H-H2O]+ 186.11436 134.6
[M+HCOO]- 248.11530 165.2
[M+CH3COO]- 262.13095 155.8
[M+Na-2H]- 224.09177 151.4
[M]+ 203.11655 142.8
[M]- 203.11765 142.8
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.