CID 22764270

4-tert-butylazepane

Structural Information

Molecular Formula
C10H21N
SMILES
CC(C)(C)C1CCCNCC1
InChI
InChI=1S/C10H21N/c1-10(2,3)9-5-4-7-11-8-6-9/h9,11H,4-8H2,1-3H3
InChIKey
LAHPNGGYIWAYMX-UHFFFAOYSA-N
Compound name
4-tert-butylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

155.1674 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.174676 133.1
[M+Na]+ 178.156618 135.3
[M-H]- 154.160124 134.1
[M+NH4]+ 173.201223 150.8
[M+K]+ 194.130558 137.7
[M+H-H2O]+ 138.164660 127.7
[M+HCOO]- 200.165601 148.1
[M+CH3COO]- 214.181251 177.4
[M+Na-2H]- 176.142066 137.9
[M]+ 155.16685142 124.3
[M]- 155.16794858 124.3
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