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]+ 218.14003 150.6
[M+Na]+ 240.12197 160.3
[M-H]- 216.12547 152.6
[M+NH4]+ 235.16657 165.5
[M+K]+ 256.09591 156.5
[M+H-H2O]+ 200.13001 141.2
[M+HCOO]- 262.13095 170.9
[M+CH3COO]- 276.14660 192.5
[M+Na-2H]- 238.10742 153.7
[M]+ 217.13220 150.4
[M]- 217.13330 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.