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]+ 218.140026 148.5
[M+Na]+ 240.121968 156.5
[M-H]- 216.125474 149.9
[M+NH4]+ 235.166573 162.9
[M+K]+ 256.095908 152.7
[M+H-H2O]+ 200.130010 138.1
[M+HCOO]- 262.130951 170.3
[M+CH3COO]- 276.146601 160.1
[M+Na-2H]- 238.107416 155.3
[M]+ 217.13220142 149.0
[M]- 217.13329858 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.