CID 124335

56602-33-6

Structural Information

Molecular Formula
C12H22N6OP
SMILES
CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1
InChI
InChI=1S/C12H22N6OP/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18/h7-10H,1-6H3/q+1
InChIKey
RROBIDXNTUAHFW-UHFFFAOYSA-N
Compound name
benzotriazol-1-yloxy-tris(dimethylamino)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

21280
Patents

297.15927 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16655 161.9
[M+Na]+ 320.14849 172.8
[M+NH4]+ 315.19309 169.1
[M+K]+ 336.12243 172.2
[M-H]- 296.15199 165.1
[M+Na-2H]- 318.13394 168.7
[M]+ 297.15872 164.4
[M]- 297.15982 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe