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]+ 156.174676 131.3
[M+Na]+ 178.156618 135.6
[M-H]- 154.160124 133.0
[M+NH4]+ 173.201223 152.7
[M+K]+ 194.130558 137.1
[M+H-H2O]+ 138.164660 126.4
[M+HCOO]- 200.165601 147.7
[M+CH3COO]- 214.181251 178.1
[M+Na-2H]- 176.142066 136.8
[M]+ 155.16685142 123.8
[M]- 155.16794858 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