CID 3077921

8-(isopropylamino)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane hydrochloride

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C)NC1C2C3CC4C1C5C2CC3C45
InChI
InChI=1S/C14H21N/c1-5(2)15-14-11-7-4-8-10-6(7)3-9(11)12(10)13(8)14/h5-15H,3-4H2,1-2H3
InChIKey
QMFLPVIECLVEOI-UHFFFAOYSA-N
Compound name
N-propan-2-ylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.1674 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 155.6
[M+Na]+ 226.15662 159.7
[M-H]- 202.16012 159.3
[M+NH4]+ 221.20122 179.7
[M+K]+ 242.13056 159.2
[M+H-H2O]+ 186.16466 149.8
[M+HCOO]- 248.16560 170.9
[M+CH3COO]- 262.18125 166.8
[M+Na-2H]- 224.14207 153.9
[M]+ 203.16685 166.2
[M]- 203.16795 166.2
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