CID 137964103

2225144-32-9

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1CCCC2)C=O
InChI
InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-9-8-14(10-16)7-5-4-6-11(14)15/h10-11H,4-9H2,1-3H3
InChIKey
DENLNXDFUBLANB-UHFFFAOYSA-N
Compound name
tert-butyl 3a-formyl-3,4,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 161.9
[M+Na]+ 276.157018 167.0
[M-H]- 252.160524 163.9
[M+NH4]+ 271.201623 182.4
[M+K]+ 292.130958 165.5
[M+H-H2O]+ 236.165060 156.6
[M+HCOO]- 298.166001 176.7
[M+CH3COO]- 312.181651 192.1
[M+Na-2H]- 274.142466 164.5
[M]+ 253.16725142 160.1
[M]- 253.16834858 160.1
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

No patent data available for this compound.