CID 56639660

{spiro[5.5]undecan-3-yl}methanamine

Structural Information

Molecular Formula
C12H23N
SMILES
C1CCC2(CC1)CCC(CC2)CN
InChI
InChI=1S/C12H23N/c13-10-11-4-8-12(9-5-11)6-2-1-3-7-12/h11H,1-10,13H2
InChIKey
WJWJUXLLYMXVCZ-UHFFFAOYSA-N
Compound name
spiro[5.5]undecan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

181.18304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.19032 144.8
[M+Na]+ 204.17226 146.8
[M-H]- 180.17576 148.1
[M+NH4]+ 199.21686 165.9
[M+K]+ 220.14620 144.3
[M+H-H2O]+ 164.18030 138.4
[M+HCOO]- 226.18124 161.4
[M+CH3COO]- 240.19689 182.2
[M+Na-2H]- 202.15771 148.6
[M]+ 181.18249 133.7
[M]- 181.18359 133.7
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