CID 56828076

Tert-butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCC12CNC2
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-5-4-10(12)6-11-7-10/h11H,4-7H2,1-3H3
InChIKey
LKTBVNSJVPWOKC-UHFFFAOYSA-N
Compound name
tert-butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

198.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 145.0
[M+Na]+ 221.126048 148.5
[M-H]- 197.129554 146.3
[M+NH4]+ 216.170653 150.1
[M+K]+ 237.099988 153.0
[M+H-H2O]+ 181.134090 130.8
[M+HCOO]- 243.135031 157.4
[M+CH3COO]- 257.150681 192.8
[M+Na-2H]- 219.111496 149.4
[M]+ 198.13628142 159.3
[M]- 198.13737858 159.3
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