CID 220606

24271-65-6

Structural Information

Molecular Formula
C10H17NO
SMILES
CC1(C2CCC1(C(=O)C2N)C)C
InChI
InChI=1S/C10H17NO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5,11H2,1-3H3
InChIKey
FWTBFTMMDUJGSW-UHFFFAOYSA-N
Compound name
3-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

167.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.138286 135.6
[M+Na]+ 190.120228 145.3
[M-H]- 166.123734 138.9
[M+NH4]+ 185.164833 165.4
[M+K]+ 206.094168 142.5
[M+H-H2O]+ 150.128270 133.4
[M+HCOO]- 212.129211 157.3
[M+CH3COO]- 226.144861 182.5
[M+Na-2H]- 188.105676 139.8
[M]+ 167.13046142 134.5
[M]- 167.13155858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe