CID 216697

37613-74-4

Structural Information

Molecular Formula
C12H23N
SMILES
CCC(CC1=C(C(CC1)(C)C)C)N
InChI
InChI=1S/C12H23N/c1-5-11(13)8-10-6-7-12(3,4)9(10)2/h11H,5-8,13H2,1-4H3
InChIKey
ANJKZQSWKFRCQG-UHFFFAOYSA-N
Compound name
1-(2,3,3-trimethylcyclopenten-1-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.18304 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.19032 144.3
[M+Na]+ 204.17226 151.0
[M-H]- 180.17576 147.5
[M+NH4]+ 199.21686 168.1
[M+K]+ 220.14620 149.0
[M+H-H2O]+ 164.18030 139.8
[M+HCOO]- 226.18124 166.5
[M+CH3COO]- 240.19689 187.7
[M+Na-2H]- 202.15771 145.6
[M]+ 181.18249 143.1
[M]- 181.18359 143.1
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.