CID 62077670

3-methyl-4-[5-(propan-2-yl)-1h-1,2,3,4-tetrazol-1-yl]aniline hydrochloride

Structural Information

Molecular Formula
C11H15N5
SMILES
CC1=C(C=CC(=C1)N)N2C(=NN=N2)C(C)C
InChI
InChI=1S/C11H15N5/c1-7(2)11-13-14-15-16(11)10-5-4-9(12)6-8(10)3/h4-7H,12H2,1-3H3
InChIKey
DTMAIXUUNDLRBU-UHFFFAOYSA-N
Compound name
3-methyl-4-(5-propan-2-yltetrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13275 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 150.6
[M+Na]+ 240.121968 160.3
[M-H]- 216.125474 152.6
[M+NH4]+ 235.166573 165.5
[M+K]+ 256.095908 156.5
[M+H-H2O]+ 200.130010 141.2
[M+HCOO]- 262.130951 170.9
[M+CH3COO]- 276.146601 192.5
[M+Na-2H]- 238.107416 153.7
[M]+ 217.13220142 150.4
[M]- 217.13329858 150.4
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.