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

21352
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 166.2
[M+Na]+ 320.14849 172.1
[M-H]- 296.15199 170.6
[M+NH4]+ 315.19309 181.6
[M+K]+ 336.12243 168.4
[M+H-H2O]+ 280.15653 157.1
[M+HCOO]- 342.15747 195.6
[M+CH3COO]- 356.17312 214.1
[M+Na-2H]- 318.13394 173.7
[M]+ 297.15872 171.9
[M]- 297.15982 171.9
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