CID 3041344

Brn 0986978

Structural Information

Molecular Formula
C10H13N5
SMILES
CC1=CC(=CC=C1)NCCC2=NNN=N2
InChI
InChI=1S/C10H13N5/c1-8-3-2-4-9(7-8)11-6-5-10-12-14-15-13-10/h2-4,7,11H,5-6H2,1H3,(H,12,13,14,15)
InChIKey
DYSWQZWLCILFEO-UHFFFAOYSA-N
Compound name
3-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 144.8
[M+Na]+ 226.10632 157.1
[M+NH4]+ 221.15092 151.5
[M+K]+ 242.08026 152.7
[M-H]- 202.10982 146.3
[M+Na-2H]- 224.09177 152.7
[M]+ 203.11655 146.7
[M]- 203.11765 146.7
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.