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

2
Patents

169.18304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.19032 136.6
[M+Na]+ 192.17226 138.8
[M-H]- 168.17576 140.0
[M+NH4]+ 187.21686 155.4
[M+K]+ 208.14620 141.8
[M+H-H2O]+ 152.18030 132.0
[M+HCOO]- 214.18124 154.4
[M+CH3COO]- 228.19689 185.1
[M+Na-2H]- 190.15771 140.0
[M]+ 169.18249 128.2
[M]- 169.18359 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