CID 53659905

4-tert-butylcycloheptan-1-amine

Structural Information

Molecular Formula
C11H23N
SMILES
CC(C)(C)C1CCCC(CC1)N
InChI
InChI=1S/C11H23N/c1-11(2,3)9-5-4-6-10(12)8-7-9/h9-10H,4-8,12H2,1-3H3
InChIKey
JJRUOAOJNGXQNV-UHFFFAOYSA-N
Compound name
4-tert-butylcycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

169.18304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.190316 136.6
[M+Na]+ 192.172258 138.8
[M-H]- 168.175764 140.0
[M+NH4]+ 187.216863 155.4
[M+K]+ 208.146198 141.8
[M+H-H2O]+ 152.180300 132.0
[M+HCOO]- 214.181241 154.4
[M+CH3COO]- 228.196891 185.1
[M+Na-2H]- 190.157706 140.0
[M]+ 169.18249142 128.2
[M]- 169.18358858 128.2
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