CID 11970849

1,3,5-triheptylhexahydro-1,3,5-triazine

Structural Information

Molecular Formula
C24H51N3
SMILES
CCCCCCCN1CN(CN(C1)CCCCCCC)CCCCCCC
InChI
InChI=1S/C24H51N3/c1-4-7-10-13-16-19-25-22-26(20-17-14-11-8-5-2)24-27(23-25)21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey
MRRLWMPJSDXXFC-UHFFFAOYSA-N
Compound name
1,3,5-triheptyl-1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.4083 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.415576 208.5
[M+Na]+ 404.397518 208.3
[M-H]- 380.401024 204.2
[M+NH4]+ 399.442123 216.6
[M+K]+ 420.371458 202.9
[M+H-H2O]+ 364.405560 197.4
[M+HCOO]- 426.406501 219.6
[M+CH3COO]- 440.422151 227.6
[M+Na-2H]- 402.382966 204.3
[M]+ 381.40775142 211.9
[M]- 381.40884858 211.9
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.