CID 3031870

3-[1-(2-methylpropyl)tetrazol-5-yl]aniline

Structural Information

Molecular Formula
C11H15N5
SMILES
CC(C)CN1C(=NN=N1)C2=CC(=CC=C2)N
InChI
InChI=1S/C11H15N5/c1-8(2)7-16-11(13-14-15-16)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3
InChIKey
JQVJRHOCQXWSKL-UHFFFAOYSA-N
Compound name
3-[1-(2-methylpropyl)tetrazol-5-yl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

217.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14003 150.0
[M+Na]+ 240.12197 158.8
[M-H]- 216.12547 151.6
[M+NH4]+ 235.16657 164.5
[M+K]+ 256.09591 155.0
[M+H-H2O]+ 200.13001 140.2
[M+HCOO]- 262.13095 170.3
[M+CH3COO]- 276.14660 191.4
[M+Na-2H]- 238.10742 153.9
[M]+ 217.13220 149.4
[M]- 217.13330 149.4
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.