CID 62736705

1340146-25-9

Structural Information

Molecular Formula
C11H15N5
SMILES
CNCC1=NN=NN1CCC2=CC=CC=C2
InChI
InChI=1S/C11H15N5/c1-12-9-11-13-14-15-16(11)8-7-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKey
NMMSIKWEPWATEM-UHFFFAOYSA-N
Compound name
N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13275 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14003 148.5
[M+Na]+ 240.12197 156.5
[M-H]- 216.12547 149.9
[M+NH4]+ 235.16657 162.9
[M+K]+ 256.09591 152.7
[M+H-H2O]+ 200.13001 138.1
[M+HCOO]- 262.13095 170.3
[M+CH3COO]- 276.14660 160.1
[M+Na-2H]- 238.10742 155.3
[M]+ 217.13220 149.0
[M]- 217.13330 149.0
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.