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]+ 204.124376 144.5
[M+Na]+ 226.106318 152.5
[M-H]- 202.109824 144.7
[M+NH4]+ 221.150923 158.8
[M+K]+ 242.080258 148.1
[M+H-H2O]+ 186.114360 134.6
[M+HCOO]- 248.115301 165.2
[M+CH3COO]- 262.130951 155.8
[M+Na-2H]- 224.091766 151.4
[M]+ 203.11655142 142.8
[M]- 203.11764858 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.