CID 54129538

3,3,5,5-tetramethylazepane

Structural Information

Molecular Formula
C10H21N
SMILES
CC1(CCNCC(C1)(C)C)C
InChI
InChI=1S/C10H21N/c1-9(2)5-6-11-8-10(3,4)7-9/h11H,5-8H2,1-4H3
InChIKey
AZVHSOYMWGRZQQ-UHFFFAOYSA-N
Compound name
3,3,5,5-tetramethylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

155.1674 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.17468 131.3
[M+Na]+ 178.15662 135.6
[M-H]- 154.16012 133.0
[M+NH4]+ 173.20122 152.7
[M+K]+ 194.13056 137.1
[M+H-H2O]+ 138.16466 126.4
[M+HCOO]- 200.16560 147.7
[M+CH3COO]- 214.18125 178.1
[M+Na-2H]- 176.14207 136.8
[M]+ 155.16685 123.8
[M]- 155.16795 123.8
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

patents stripe