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

58
Patents

217.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 150.0
[M+Na]+ 240.121968 158.8
[M-H]- 216.125474 151.6
[M+NH4]+ 235.166573 164.5
[M+K]+ 256.095908 155.0
[M+H-H2O]+ 200.130010 140.2
[M+HCOO]- 262.130951 170.3
[M+CH3COO]- 276.146601 191.4
[M+Na-2H]- 238.107416 153.9
[M]+ 217.13220142 149.4
[M]- 217.13329858 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.