CID 59116030

3,3,4-trimethylpiperidine

Structural Information

Molecular Formula
C8H17N
SMILES
CC1CCNCC1(C)C
InChI
InChI=1S/C8H17N/c1-7-4-5-9-6-8(7,2)3/h7,9H,4-6H2,1-3H3
InChIKey
VXHWPIAGYKZENK-UHFFFAOYSA-N
Compound name
3,3,4-trimethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 129.2
[M+Na]+ 150.125318 135.4
[M-H]- 126.128824 129.8
[M+NH4]+ 145.169923 151.6
[M+K]+ 166.099258 133.9
[M+H-H2O]+ 110.133360 124.3
[M+HCOO]- 172.134301 147.0
[M+CH3COO]- 186.149951 170.1
[M+Na-2H]- 148.110766 134.9
[M]+ 127.13555142 123.7
[M]- 127.13664858 123.7
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